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DocumentationIdentifier: MM314525
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM314525 |
| SMILES |
O=C(O)COCCO
|
| InChIKey |
VDNMIIDPBBCMTM-UHFFFAOYSA-N
|
| MW [Da] |
120.1
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403966
Similarity: 0.9362
Similarity to MM403966
| Tanimoto metric | 0.9362 |
|---|---|
| Cosine metric | 0.9676 |
| Dice metric | 0.967 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-ethoxyacetic Acid
Similarity: 0.8636
Similarity to 2-ethoxyacetic Acid
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347078
Similarity: 0.8511
Similarity to MM347078
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9196 |
| Dice metric | 0.9195 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
